Geometry & MOs

Info

ID:

116445

PubChem CID:

50560794

Reduced:

ClN6O6C35H47 (1)

Stoich.:

AB6C6D35E47 (1)

Weight, g/mol:

547.17531

ΔHf, kcal/mol:

-256.51

Dipole, Da:

11.63

IP(EA), eV:

 -8.18(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-(methylcarbamoyl)phenyl]-1-[2-[4-chloro-3-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=C(C=C(C=C1)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCCCC4)OC

DOS

IR

Vibrations